1,3-benzodioxol-5-yl (2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate
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![1,3-benzodioxol-5-yl (2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/092af552f98b4a0a869a5cfbe5ed8d84.png "1,3-benzodioxol-5-yl (2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate")
1,3-benzodioxol-5-yl (2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate
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CAS No:
956779-32-1
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Formula:
C19H17ClF3NO4
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Chemical Name:
1,3-benzodioxol-5-yl (2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate
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Synonyms:
ZINC3304906;AKOS034826726;MCULE-7077834448;Z56959124;2H-1,3-benzodioxol-5-yl (2S)-2-{[2-chloro-4-(trifluoromethyl)phenyl]amino}-3-methylbutanoate;956779-32-1
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CAS No:
1,3-benzodioxol-5-yl (2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate Basic Attributes
415.8 g/mol
415.0798202 g/mol
Computed Properties
Molecular Weight:415.8
XLogP3:6.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:415.0798202
Monoisotopic Mass:415.0798202
Topological Polar Surface Area:56.8
Heavy Atom Count:28
Complexity:548
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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